6-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane

C9H17NO — CID 68804917

IUPAC6-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane
SMILESCCOCC1C2CNC(C)C21
InChIInChI=1S/C9H17NO/c1-3-11-5-8-7-4-10-6(2)9(7)8/h6-10H,3-5H2,1-2H3
InChIKeyHYWPBTHBYMYLKS-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.88
Rot. Bonds3

About 6-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane

6-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane (PubChem CID 68804917) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 6-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane
PubChem CID68804917
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name6-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane
SMILESCCOCC1C2CNC(C)C21
InChIInChI=1S/C9H17NO/c1-3-11-5-8-7-4-10-6(2)9(7)8/h6-10H,3-5H2,1-2H3
InChIKeyHYWPBTHBYMYLKS-UHFFFAOYSA-N
XLogP0.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 91410594
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3-(ethoxymethyl)-4-methylpiperidine
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1,2-bis(ethoxymethyl)-3,5-dimethylcyclohexane
CID 139783736
2-(ethoxymethyl)azepane
CID 79569846
(3S)-3-(ethoxymethyl)piperidine
CID 42427180
(1R)-2-(ethoxymethyl)tricyclo[3.3.1.03,7]nonane
CID 130238691
(3R)-3-(ethoxymethyl)piperidine
CID 42427178
3-(ethoxymethyl)piperidine;hydrochloride
CID 17178071
2-(ethoxymethyl)pyrrolidine;2-(methoxymethyl)pyrrolidine
CID 145216939
ethoxyethane;sulfane
CID 90240371
ethoxyethane;sulfane
CID 87243372

Frequently Asked Questions

What is the IUPAC name of 6-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane (CID 68804917) is 6-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane is CCOCC1C2CNC(C)C21.
What is the InChIKey of 6-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is HYWPBTHBYMYLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-11-5-8-7-4-10-6(2)9(7)8/h6-10H,3-5H2,1-2H3.
What are the key properties of 6-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane?
6-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 155.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 68804917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).